N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(1,3-benzodioxol-5-ylmethyl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3-benzodioxol-5-ylmethyl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3-benzodioxol-5-ylmethyl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-piperonyl-butyramide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O6S/c1-15(24)17-6-8-18(9-7-17)30(26,27)23(2)11-3-4-21(25)22-13-16-5-10-19-20(12-16)29-14-28-19/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,25)